#------------------------------------------------------------------------------ #$Date: 2023-08-11 04:52:36 +0300 (Fri, 11 Aug 2023) $ #$Revision: 285617 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/21/2312159.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2312159 _cell_angle_alpha 70.933 _cell_angle_beta 76.124 _cell_angle_gamma 74.249 _cell_length_a 8.2032 _cell_length_b 9.4084 _cell_length_c 10.8312 _exptl_crystal_F_000 432.00 _reflns_d_resolution_high 0.6589 _cod_data_source_file dj2055Isup2.hkl _cod_data_source_block I _shelx_title ' CuIBiq in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 155.16 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 1 0 0 8005.70 8126.69 145.77 o 2 0 0 4618.28 4797.06 50.91 o 3 0 0 177.08 192.90 6.54 o 4 0 0 8193.04 8146.04 95.89 o 5 0 0 4117.36 4179.86 59.37 o 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1801.55 32.92 o 4 8 0 69.90 55.52 8.67 o 5 8 0 226.70 248.98 13.77 o 6 8 0 737.53 736.77 20.60 o 7 8 0 2459.06 2446.19 40.44 o 8 8 0 264.98 269.13 14.17 o 9 8 0 237.36 227.17 15.29 o 10 8 0 1.46 16.19 12.10 o 11 8 0 640.78 615.39 47.42 o -7 9 0 71.34 51.03 24.21 o -6 9 0 31.08 23.88 13.29 o -5 9 0 907.70 866.08 32.27 o -4 9 0 1335.79 1293.54 32.39 o -3 9 0 1.50 3.57 9.57 o -2 9 0 626.15 621.92 22.35 o -1 9 0 513.11 490.37 22.33 o 0 9 0 1625.07 1706.00 32.27 o 1 9 0 10.49 11.74 5.96 o 2 9 0 1194.67 1147.50 21.13 o 3 9 0 308.69 340.43 15.12 o 4 9 0 520.22 492.74 33.66 o 5 9 0 71.36 82.86 10.30 o 6 9 0 964.35 1003.24 32.37 o 7 9 0 1296.69 1324.17 30.60 o 8 9 0 13.32 13.58 9.02 o 9 9 0 210.21 199.42 14.29 o 10 9 0 35.20 25.60 29.14 o -6 10 0 18.96 40.39 14.77 o -5 10 0 766.62 738.36 28.41 o -4 10 0 1167.91 1144.57 32.00 o -3 10 0 92.40 90.72 13.46 o -2 10 0 93.47 83.79 11.83 o -1 10 0 759.53 739.81 22.65 o 0 10 0 2731.33 2685.22 45.83 o 1 10 0 438.06 406.17 15.03 o 2 10 0 530.80 518.33 14.54 o 3 10 0 101.98 95.78 10.93 o 4 10 0 1515.45 1537.16 32.68 o 5 10 0 350.07 359.11 18.25 o 6 10 0 313.14 329.18 17.08 o 7 10 0 208.97 226.80 15.31 o 8 10 0 264.30 277.38 17.26 o 9 10 0 396.72 362.62 29.99 o -4 11 0 2.50 7.42 13.36 o -3 11 0 209.52 211.47 16.07 o -2 11 0 20.55 15.25 10.52 o -1 11 0 413.07 400.48 18.81 o 0 11 0 1105.23 1086.98 26.71 o 1 11 0 24.98 33.64 7.94 o 2 11 0 15.46 40.16 10.83 o 3 11 0 718.33 702.93 23.44 o 4 11 0 1790.53 1857.08 38.36 o 5 11 0 162.09 164.50 13.54 o 6 11 0 130.36 130.63 14.32 o 7 11 0 75.96 53.25 12.99 o 8 11 0 840.91 818.83 51.88 o -3 12 0 992.18 945.62 30.22 o -2 12 0 355.35 310.89 21.65 o -1 12 0 980.16 992.29 27.78 o 0 12 0 93.37 87.00 11.13 o 1 12 0 508.91 552.82 22.13 o 2 12 0 448.30 473.70 29.17 o 3 12 0 155.03 179.18 17.06 o 4 12 0 813.75 877.61 31.89 o 5 12 0 1.77 -1.99 12.16 o 6 12 0 163.19 159.51 17.06 o 7 12 0 67.27 84.41 18.93 o 0 13 0 37.76 48.23 23.58 o 1 13 0 362.05 336.86 33.63 o 2 13 0 369.45 334.86 71.34 o 3 13 0 98.51 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